1-(4-ethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(4-ethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(4-ethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(4-ethylphenyl)-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(4-ethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(4-ethylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H25N3O/c1-2-16-5-9-18(10-6-16)21-20(24)22-19-11-7-17(8-12-19)15-23-13-3-4-14-23/h5-12H,2-4,13-15H2,1H3,(H2,21,22,24)/p+1